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SB 204990 10mg

CAT: 0628-A21091-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A21091-10Size:10 mg
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CAS Number
154566-12-8

Chemical Information

SB 204990
CAS Number154566-12-8
PubChem CID10340264
IUPAC Name2-[(3S,5R)-5-[6-(2,4-dichlorophenyl)hexyl]-3-hydroxy-2-oxooxolan-3-yl]acetic acid
Molecular FormulaC18H22Cl2O5
Molecular Weight389.3
XLogP5.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity472
SMILES
C1[C@H](OC(=O)[C@]1(CC(=O)O)O)CCCCCCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C18H22Cl2O5/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14-10-18(24,11-16(21)22)17(23)25-14/h7-9,14,24H,1-6,10-11H2,(H,21,22)/t14-,18+/m1/s1
InChIKey
YTRNLFYTHYWDAU-KDOFPFPSSA-N
Chemical Structure
2D Structure
2D structure of SB 204990
CAS: 154566-12-8
CID: 10340264
Formula: C18H22Cl2O5
MW: 389.3
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight389.3
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass388.0844292
Monoisotopic Mass388.0844292
Topological Polar Surface Area83.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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